Study of microscopic mechanisms in HAT-CN/NPB interface devices under consideration of trap action
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Manifestation of the normal intensity distribution law (NIDL) in the rovibrational emission spectrum of hydroxyl radical
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Theoretical study on the application of TaS2 as anode material of potassium ion battery in implantable medical equipment
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Uncovering excited state behaviours associated with electron-withdrawing CN and electron-donating TPA moieties on SAA derivatives: a theoretical study
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Molecular structure and spectra of ytterbium dihalides from first principles
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Molecular structure and spectra of ytterbium dihalides from first principles
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DFT-based computational analysis of 2,4-dimethyl-6-tert-butylphenol (DTBP) as an antioxidant in aviation fuels
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Equilibrium and non-equilibrium molecular dynamics simulation of thermo-osmosis: enhanced effects on polarised graphene surfaces
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Computationally feasible bounds for the free energy of nonequilibrium steady states, applied to simple models of heat conduction
.
Study of structural, electronic, optical and mechanical properties of PbZrO3 under stress: a DFT approach
.